Ligand |
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Ligand Name: (±)17,18-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB372 | PubChem: - | |
Synonym(s): - | ||
DrugBank: - | ChEMBL: - | |
Canonical SMILES: CC[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O | ||
Standard InChI: InChI=1S/C20H30O3/c1-2-18-19(23-18)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(21)22/h3,5-6,8-9,11-12,14,18-19H,2,4,7,10,13,15-17H2,1H3,(H,21,22)/b5-3-,8-6-,11-9-,14-12-/t18-,19-/m1/s1 | ||
Molecular Formula: C20H30O3 | Mol. Weight: 318.21948 | logP: 5.2039 |
HBD: 1 | HBA: 2 | |
#Rotatable Bonds: 13 | TPSA: 49.83 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Putative hydrolase | A0A0H2ZD27 (A0A0H2ZD27_PSEAB) | Pseudomonas aeruginosa (strain UCBPP-PA14) | 5TNH | 7MS |
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